1-(4-chlorophenyl)-N'-[[1-(dimethylamino)cyclobutyl]methyl]-N'-methylpropane-1,3-diamine

C17H28ClN3 — CID 105417210

IUPAC1-(4-chlorophenyl)-N'-[[1-(dimethylamino)cyclobutyl]methyl]-N'-methylpropane-1,3-diamine
SMILESCN(CCC(N)c1ccc(Cl)cc1)CC1(N(C)C)CCC1
InChIInChI=1S/C17H28ClN3/c1-20(2)17(10-4-11-17)13-21(3)12-9-16(19)14-5-7-15(18)8-6-14/h5-8,16H,4,9-13,19H2,1-3H3
InChIKeyQFEASXUVMPXSLJ-UHFFFAOYSA-N
MW309.88 g/mol
LogP3.15
Rot. Bonds7

About 1-(4-chlorophenyl)-N'-[[1-(dimethylamino)cyclobutyl]methyl]-N'-methylpropane-1,3-diamine

1-(4-chlorophenyl)-N'-[[1-(dimethylamino)cyclobutyl]methyl]-N'-methylpropane-1,3-diamine (PubChem CID 105417210) has the molecular formula C17H28ClN3 and a molecular weight of 309.88 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N'-[[1-(dimethylamino)cyclobutyl]methyl]-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N'-[[1-(dimethylamino)cyclobutyl]methyl]-N'-methylpropane-1,3-diamine
PubChem CID105417210
Molecular FormulaC17H28ClN3
Molecular Weight309.88 g/mol
Exact Mass309.20
IUPAC Name1-(4-chlorophenyl)-N'-[[1-(dimethylamino)cyclobutyl]methyl]-N'-methylpropane-1,3-diamine
SMILESCN(CCC(N)c1ccc(Cl)cc1)CC1(N(C)C)CCC1
InChIInChI=1S/C17H28ClN3/c1-20(2)17(10-4-11-17)13-21(3)12-9-16(19)14-5-7-15(18)8-6-14/h5-8,16H,4,9-13,19H2,1-3H3
InChIKeyQFEASXUVMPXSLJ-UHFFFAOYSA-N
XLogP3.15
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.88
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-N'-[(4-chlorophenyl)methyl]-N'-methylpropane-1,3-diamine
CID 62644202
N'-[(4-chlorophenyl)methyl]-N'-methyl-1-(4-methylphenyl)propane-1,3-diamine
CID 62617601
1-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N-methylpentane-1,4-diamine
CID 105414329
N'-[[1-(dimethylamino)cyclobutyl]methyl]-2-ethyl-N'-methylbutane-1,4-diamine
CID 105421320
1-(4-chlorophenyl)-N'-[(2-chlorophenyl)methyl]-N'-methylpropane-1,3-diamine
CID 62644732
(1S)-1-(4-chlorophenyl)-N',N'-diethylpropane-1,3-diamine
CID 28814207
N'-[(4-chlorophenyl)methyl]-N'-methyl-1-phenylpropane-1,3-diamine
CID 61414808
1-(4-chlorophenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)propane-1,3-diamine
CID 62644490
N'-[[1-(dimethylamino)cyclobutyl]methyl]-N'-methyl-2-(2-methylpropyl)butane-1,4-diamine
CID 105421315
1-(4-chlorophenyl)-N'-(cyclobutylmethyl)-N'-ethylpropane-1,3-diamine
CID 107401589
1-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N,3-N-dimethylbutane-1,3-diamine
CID 105414306
1-[[1-(4-chlorophenyl)ethyl-methylamino]methyl]cyclobutan-1-amine
CID 81170816

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N'-[[1-(dimethylamino)cyclobutyl]methyl]-N'-methylpropane-1,3-diamine?
The IUPAC name of 1-(4-chlorophenyl)-N'-[[1-(dimethylamino)cyclobutyl]methyl]-N'-methylpropane-1,3-diamine (CID 105417210) is 1-(4-chlorophenyl)-N'-[[1-(dimethylamino)cyclobutyl]methyl]-N'-methylpropane-1,3-diamine.
What is the SMILES notation for 1-(4-chlorophenyl)-N'-[[1-(dimethylamino)cyclobutyl]methyl]-N'-methylpropane-1,3-diamine?
The canonical SMILES for 1-(4-chlorophenyl)-N'-[[1-(dimethylamino)cyclobutyl]methyl]-N'-methylpropane-1,3-diamine is CN(CCC(N)c1ccc(Cl)cc1)CC1(N(C)C)CCC1.
What is the InChIKey of 1-(4-chlorophenyl)-N'-[[1-(dimethylamino)cyclobutyl]methyl]-N'-methylpropane-1,3-diamine?
The InChIKey is QFEASXUVMPXSLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28ClN3/c1-20(2)17(10-4-11-17)13-21(3)12-9-16(19)14-5-7-15(18)8-6-14/h5-8,16H,4,9-13,19H2,1-3H3.
What are the key properties of 1-(4-chlorophenyl)-N'-[[1-(dimethylamino)cyclobutyl]methyl]-N'-methylpropane-1,3-diamine?
1-(4-chlorophenyl)-N'-[[1-(dimethylamino)cyclobutyl]methyl]-N'-methylpropane-1,3-diamine has a molecular weight of 309.88 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N'-[[1-(dimethylamino)cyclobutyl]methyl]-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 105417210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).